SCHEMBL28647134

SCHEMBL28647134

COc1c(Nc2nc(Cl)ncc2CC(C)=O)cccc1-c1ncn(C)n1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TYK2 P29597 18/20 0.48
▸ JAK2 O60674 3/20 0.47
▸ JAK1 P23458 4/20 0.46
▸ KCNH2 Q12809 1/20 0.46

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31369033 1.00 TYK2 (0.48) TYK2JAK2JAK1KCNH2
SCHEMBL28662538 0.86 TYK2 (0.52) TYK2JAK2JAK1KCNH2
SCHEMBL31369032 0.86 TYK2 (0.52) TYK2JAK2JAK1KCNH2
SCHEMBL25748683 0.84 TYK2 (0.52) TYK2JAK2JAK1KCNH2
SCHEMBL30465864 0.84 TYK2 (0.52) TYK2JAK2JAK1KCNH2
SCHEMBL25670345 0.84 TYK2 (0.52) TYK2JAK2JAK1KCNH2
SCHEMBL25750974 0.83 TYK2 (0.61) TYK2JAK2JAK1KCNH2
SCHEMBL29882968 0.83 TYK2 (0.61) TYK2JAK2JAK1KCNH2
SCHEMBL27292496 0.82 JAK2 (0.52) TYK2JAK2JAK1KCNH2
SCHEMBL31369051 0.82 TYK2 (0.47) TYK2JAK2JAK1KCNH2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113563309-A Pyridine derivative and preparation method and application thereof 浙江海正药业股份有限公司 2021-10-29 — — CN disclosed
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